BDBM50019649 CHEMBL3291398

SMILES [H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CS[C@@H]1CC[C@@H](N)C[C@H]1O

InChI Key InChIKey=KPVIXBKIJXZQJX-FCEONZPQSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50019649   

TargetCytochrome P450 2D6(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019649(CHEMBL3291398)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019649(CHEMBL3291398)
Affinity DataIC50:  4.65E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019649(CHEMBL3291398)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019649(CHEMBL3291398)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019649(CHEMBL3291398)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50019649(CHEMBL3291398)
Affinity DataIC50:  4.43E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed